Natural Product: NPC471969

Natural Product ID:  NPC471969
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C38H48O7
Standard InCHIKey:  FEGWCWSOMOLCAP-SATKQSCPSA-N
Standard InCHI:  InChI=1S/C38H48O7/c1-20(2)11-12-25-19-37(18-24(22(5)6)15-27(39)23(7)8)33(43)31-32(42)26-16-28(40)29(41)17-30(26)45-34(31)38(35(37)44,36(25,9)10)14-13-21(3)4/h11,13,16-17,24-25,27,39-41H,5,7,12,14-15,18-19H2,1-4,6,8-10H3/t24-,25-,27?,37-,38+/m1/s1
Canonical SMILES:  CC(=CC[C@]12c3oc4cc(O)c(cc4c(=O)c3C(=O)[C@@](C1=O)(C[C@H](C(=C)C)CC(C(=C)C)O)C[C@H](C2(C)C)CC=C(C)C)O)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO32711 garcinia esculenta Species Clusiaceae Eukaryota Twigs PMID[24960143]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT65 Cell Line HepG2 Homo sapiens IC50 > 10000 nM 20430633
NPT2 Others Unspecified IC50 > 10000 nM 17243726
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 > 10000 nM DrugMatrix in vivo data: Hematology
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 12900 nM 8254346
NPT83 Cell Line MCF7 Homo sapiens IC50 > 10000 nM 1710256

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC471969 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9752 High Similarity NPC478059
0.9752 High Similarity NPC470377
0.9752 High Similarity NPC471975
0.9752 High Similarity NPC470374
0.9752 High Similarity NPC478060
0.9096 High Similarity NPC469394
0.9091 High Similarity NPC476295
0.9085 High Similarity NPC278427
0.9059 High Similarity NPC478050
0.8976 High Similarity NPC472278
0.8976 High Similarity NPC329669
0.8976 High Similarity NPC473313
0.897 High Similarity NPC472275
0.8963 High Similarity NPC469658
0.8963 High Similarity NPC197856
0.8963 High Similarity NPC329091
0.8941 High Similarity NPC469393
0.8922 High Similarity NPC473286
0.8916 High Similarity NPC470694
0.8909 High Similarity NPC297212
0.8902 High Similarity NPC179732
0.8882 High Similarity NPC48949
0.8862 High Similarity NPC469395
0.8862 High Similarity NPC7483
0.8855 High Similarity NPC258331
0.8855 High Similarity NPC32694
0.8851 High Similarity NPC228209
0.8848 High Similarity NPC172770
0.8848 High Similarity NPC185258
0.8848 High Similarity NPC46736
0.8841 High Similarity NPC164427
0.8841 High Similarity NPC317383
0.8834 High Similarity NPC477048
0.8834 High Similarity NPC476631
0.8834 High Similarity NPC477047
0.8824 High Similarity NPC472276
0.8817 High Similarity NPC6588
0.8817 High Similarity NPC477154
0.8817 High Similarity NPC117854
0.8817 High Similarity NPC126204
0.8817 High Similarity NPC470456
0.881 High Similarity NPC156432
0.8807 High Similarity NPC240808
0.8802 High Similarity NPC329760
0.8802 High Similarity NPC220912
0.8802 High Similarity NPC81679
0.8795 High Similarity NPC321399
0.8795 High Similarity NPC28241
0.8795 High Similarity NPC476283
0.8795 High Similarity NPC235018
0.8795 High Similarity NPC155302
0.8795 High Similarity NPC161947
0.8795 High Similarity NPC45146
0.8795 High Similarity NPC476280
0.8795 High Similarity NPC119224
0.8788 High Similarity NPC236796
0.8788 High Similarity NPC470402
0.8788 High Similarity NPC469584
0.8788 High Similarity NPC79053
0.878 High Similarity NPC113906
0.8773 High Similarity NPC470340
0.8773 High Similarity NPC249570
0.8765 High Similarity NPC286074
0.8765 High Similarity NPC288813
0.8765 High Similarity NPC188079
0.8765 High Similarity NPC54903
0.8757 High Similarity NPC120857
0.8757 High Similarity NPC13481
0.8757 High Similarity NPC207575
0.8757 High Similarity NPC17274
0.8757 High Similarity NPC39091
0.8757 High Similarity NPC85047
0.8757 High Similarity NPC470462
0.875 High Similarity NPC303460
0.875 High Similarity NPC207690
0.875 High Similarity NPC306321
0.875 High Similarity NPC12461
0.875 High Similarity NPC236132
0.875 High Similarity NPC270837
0.875 High Similarity NPC220313
0.875 High Similarity NPC18100
0.8743 High Similarity NPC474186
0.8743 High Similarity NPC187354
0.8743 High Similarity NPC228383
0.8743 High Similarity NPC8927
0.8743 High Similarity NPC40491
0.8743 High Similarity NPC474351
0.8743 High Similarity NPC198829
0.8743 High Similarity NPC475883
0.8743 High Similarity NPC278052
0.8743 High Similarity NPC87431
0.8735 High Similarity NPC210459
0.8735 High Similarity NPC85121
0.8727 High Similarity NPC474167
0.8727 High Similarity NPC142339
0.8727 High Similarity NPC470762
0.872 High Similarity NPC280937
0.872 High Similarity NPC298692
0.872 High Similarity NPC89474
0.8713 High Similarity NPC313717
0.8713 High Similarity NPC315306
0.8706 High Similarity NPC158761
0.8706 High Similarity NPC218226
0.8706 High Similarity NPC243877
0.8698 High Similarity NPC472450
0.8698 High Similarity NPC275780
0.8698 High Similarity NPC239752
0.8698 High Similarity NPC326520
0.8698 High Similarity NPC470457
0.8698 High Similarity NPC50960
0.8698 High Similarity NPC475888
0.8698 High Similarity NPC472277
0.8698 High Similarity NPC25361
0.869 High Similarity NPC201800
0.869 High Similarity NPC215612
0.869 High Similarity NPC194427
0.869 High Similarity NPC261470
0.869 High Similarity NPC474162
0.869 High Similarity NPC474150
0.869 High Similarity NPC83922
0.869 High Similarity NPC211107
0.869 High Similarity NPC472448
0.869 High Similarity NPC294965
0.869 High Similarity NPC206605
0.869 High Similarity NPC472964
0.8683 High Similarity NPC475886
0.8683 High Similarity NPC228785
0.8683 High Similarity NPC320359
0.8683 High Similarity NPC476980
0.8683 High Similarity NPC474287
0.8683 High Similarity NPC56085
0.8683 High Similarity NPC14353
0.8683 High Similarity NPC80375
0.8678 High Similarity NPC207467
0.8678 High Similarity NPC77179
0.8678 High Similarity NPC23553
0.8675 High Similarity NPC222814
0.8675 High Similarity NPC99597
0.8675 High Similarity NPC474208
0.8675 High Similarity NPC78103
0.8675 High Similarity NPC218871
0.8675 High Similarity NPC162869
0.8675 High Similarity NPC241904
0.8675 High Similarity NPC472914
0.8675 High Similarity NPC300727
0.8675 High Similarity NPC474836
0.8675 High Similarity NPC472911
0.8675 High Similarity NPC475267
0.8675 High Similarity NPC210084
0.8675 High Similarity NPC223787
0.8675 High Similarity NPC472910
0.8675 High Similarity NPC472913
0.8675 High Similarity NPC129684
0.8675 High Similarity NPC245758
0.8675 High Similarity NPC476630
0.8675 High Similarity NPC156057
0.8675 High Similarity NPC36852
0.8675 High Similarity NPC48208
0.8675 High Similarity NPC181960
0.8675 High Similarity NPC96167
0.8675 High Similarity NPC299520
0.8675 High Similarity NPC262286
0.8671 High Similarity NPC245975
0.8671 High Similarity NPC294149
0.8667 High Similarity NPC321779
0.8667 High Similarity NPC20830
0.8667 High Similarity NPC68727
0.8667 High Similarity NPC175192
0.8667 High Similarity NPC67396
0.8667 High Similarity NPC256612
0.8667 High Similarity NPC134287
0.8667 High Similarity NPC472048
0.8667 High Similarity NPC208197
0.8667 High Similarity NPC213622
0.8667 High Similarity NPC130589
0.8663 High Similarity NPC472620
0.8663 High Similarity NPC118128
0.8663 High Similarity NPC307286
0.8659 High Similarity NPC323626
0.8659 High Similarity NPC268992
0.8659 High Similarity NPC180944
0.8659 High Similarity NPC324233
0.8659 High Similarity NPC51824
0.8659 High Similarity NPC113608
0.8659 High Similarity NPC470337
0.8659 High Similarity NPC106976
0.8659 High Similarity NPC470338
0.8655 High Similarity NPC20734
0.8655 High Similarity NPC476637
0.865 High Similarity NPC184136
0.865 High Similarity NPC10467
0.8647 High Similarity NPC170245
0.8647 High Similarity NPC128293
0.8647 High Similarity NPC37870
0.8647 High Similarity NPC120593
0.8647 High Similarity NPC43319
0.8639 High Similarity NPC186686
0.8639 High Similarity NPC474240
0.8639 High Similarity NPC248638
0.8639 High Similarity NPC23298

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC471969 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8606 High Similarity NPD2801 Approved
0.8606 High Similarity NPD2393 Clinical (unspecified phase)
0.8434 Intermediate Similarity NPD1934 Approved
0.8353 Intermediate Similarity NPD5494 Approved
0.8333 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8282 Intermediate Similarity NPD1511 Approved
0.8276 Intermediate Similarity NPD3818 Discontinued
0.8266 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8266 Intermediate Similarity NPD6166 Phase 2
0.8266 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8229 Intermediate Similarity NPD7054 Approved
0.8204 Intermediate Similarity NPD4380 Phase 2
0.8182 Intermediate Similarity NPD7074 Phase 3
0.8182 Intermediate Similarity NPD1512 Approved
0.8182 Intermediate Similarity NPD7472 Approved
0.8176 Intermediate Similarity NPD3882 Suspended
0.8176 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8146 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8125 Intermediate Similarity NPD5844 Phase 1
0.809 Intermediate Similarity NPD7251 Discontinued
0.8059 Intermediate Similarity NPD7819 Suspended
0.8045 Intermediate Similarity NPD7808 Phase 3
0.8034 Intermediate Similarity NPD6797 Phase 2
0.8023 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8012 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8011 Intermediate Similarity NPD7473 Discontinued
0.7989 Intermediate Similarity NPD6959 Discontinued
0.7933 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7927 Intermediate Similarity NPD2800 Approved
0.7921 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7919 Intermediate Similarity NPD7075 Discontinued
0.7907 Intermediate Similarity NPD3817 Phase 2
0.7907 Intermediate Similarity NPD5402 Approved
0.788 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7869 Intermediate Similarity NPD8434 Phase 2
0.7866 Intermediate Similarity NPD1549 Phase 2
0.7853 Intermediate Similarity NPD2796 Approved
0.7849 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7841 Intermediate Similarity NPD6232 Discontinued
0.7836 Intermediate Similarity NPD7411 Suspended
0.7805 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7798 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD6801 Discontinued
0.7791 Intermediate Similarity NPD1510 Phase 2
0.7784 Intermediate Similarity NPD1247 Approved
0.7778 Intermediate Similarity NPD6599 Discontinued
0.7758 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7753 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7746 Intermediate Similarity NPD1465 Phase 2
0.7744 Intermediate Similarity NPD6100 Approved
0.7744 Intermediate Similarity NPD6099 Approved
0.7701 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD2533 Approved
0.7692 Intermediate Similarity NPD2534 Approved
0.7692 Intermediate Similarity NPD2532 Approved
0.7669 Intermediate Similarity NPD6651 Approved
0.7665 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7665 Intermediate Similarity NPD3750 Approved
0.7657 Intermediate Similarity NPD7768 Phase 2
0.7622 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7596 Intermediate Similarity NPD6559 Discontinued
0.7561 Intermediate Similarity NPD1607 Approved
0.756 Intermediate Similarity NPD4628 Phase 3
0.7546 Intermediate Similarity NPD943 Approved
0.7546 Intermediate Similarity NPD1240 Approved
0.7529 Intermediate Similarity NPD6799 Approved
0.7514 Intermediate Similarity NPD8313 Approved
0.7514 Intermediate Similarity NPD3226 Approved
0.7514 Intermediate Similarity NPD8312 Approved
0.75 Intermediate Similarity NPD5403 Approved
0.75 Intermediate Similarity NPD230 Phase 1
0.7487 Intermediate Similarity NPD8150 Discontinued
0.7473 Intermediate Similarity NPD7228 Approved
0.7473 Intermediate Similarity NPD3751 Discontinued
0.7472 Intermediate Similarity NPD6234 Discontinued
0.7456 Intermediate Similarity NPD8166 Discontinued
0.7425 Intermediate Similarity NPD2935 Discontinued
0.7423 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7416 Intermediate Similarity NPD3749 Approved
0.7403 Intermediate Similarity NPD3926 Phase 2
0.7396 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD8127 Discontinued
0.7386 Intermediate Similarity NPD37 Approved
0.7384 Intermediate Similarity NPD5401 Approved
0.7365 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD3748 Approved
0.7365 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.736 Intermediate Similarity NPD4965 Approved
0.736 Intermediate Similarity NPD4967 Phase 2
0.736 Intermediate Similarity NPD4966 Approved
0.7345 Intermediate Similarity NPD5761 Phase 2
0.7345 Intermediate Similarity NPD5760 Phase 2
0.7333 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD1613 Approved
0.7317 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD7685 Pre-registration
0.73 Intermediate Similarity NPD8151 Discontinued
0.7283 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD919 Approved
0.7273 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD1653 Approved
0.7253 Intermediate Similarity NPD3787 Discontinued
0.7251 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7245 Intermediate Similarity NPD6776 Approved
0.7245 Intermediate Similarity NPD6780 Approved
0.7245 Intermediate Similarity NPD6782 Approved
0.7245 Intermediate Similarity NPD6778 Approved
0.7245 Intermediate Similarity NPD6777 Approved
0.7245 Intermediate Similarity NPD6779 Approved
0.7245 Intermediate Similarity NPD6781 Approved
0.7225 Intermediate Similarity NPD7390 Discontinued
0.7222 Intermediate Similarity NPD7697 Approved
0.7222 Intermediate Similarity NPD7696 Phase 3
0.7222 Intermediate Similarity NPD7435 Discontinued
0.7222 Intermediate Similarity NPD7698 Approved
0.7219 Intermediate Similarity NPD1551 Phase 2
0.72 Intermediate Similarity NPD920 Approved
0.7198 Intermediate Similarity NPD7199 Phase 2
0.7191 Intermediate Similarity NPD6844 Discontinued
0.7186 Intermediate Similarity NPD7871 Phase 2
0.7186 Intermediate Similarity NPD7870 Phase 2
0.7182 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD2344 Approved
0.7176 Intermediate Similarity NPD2346 Discontinued
0.7165 Intermediate Similarity NPD4360 Phase 2
0.7165 Intermediate Similarity NPD4363 Phase 3
0.7164 Intermediate Similarity NPD7701 Phase 2
0.7163 Intermediate Similarity NPD7907 Approved
0.716 Intermediate Similarity NPD2799 Discontinued
0.7158 Intermediate Similarity NPD5710 Approved
0.7158 Intermediate Similarity NPD5711 Approved
0.7152 Intermediate Similarity NPD3027 Phase 3
0.7151 Intermediate Similarity NPD7286 Phase 2
0.715 Intermediate Similarity NPD4111 Phase 1
0.715 Intermediate Similarity NPD4665 Approved
0.7143 Intermediate Similarity NPD7801 Approved
0.7143 Intermediate Similarity NPD7783 Phase 2
0.7143 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6273 Approved
0.7134 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD7458 Discontinued
0.711 Intermediate Similarity NPD6190 Approved
0.7108 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD7874 Approved
0.7094 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD1243 Approved
0.7091 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7085 Intermediate Similarity NPD6823 Phase 2
0.7083 Intermediate Similarity NPD447 Suspended
0.7081 Intermediate Similarity NPD2403 Approved
0.7074 Intermediate Similarity NPD5953 Discontinued
0.7073 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD7700 Phase 2
0.7056 Intermediate Similarity NPD7699 Phase 2
0.7037 Intermediate Similarity NPD7240 Approved
0.7027 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD2309 Approved
0.7006 Intermediate Similarity NPD3268 Approved
0.7006 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD2313 Discontinued
0.7005 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.699 Remote Similarity NPD6535 Approved
0.699 Remote Similarity NPD6534 Approved
0.6988 Remote Similarity NPD4908 Phase 1
0.6977 Remote Similarity NPD1471 Phase 3
0.6973 Remote Similarity NPD7229 Phase 3
0.6971 Remote Similarity NPD643 Clinical (unspecified phase)
0.6946 Remote Similarity NPD7584 Approved
0.6928 Remote Similarity NPD9494 Approved
0.6923 Remote Similarity NPD5353 Approved
0.6897 Remote Similarity NPD6674 Discontinued
0.689 Remote Similarity NPD4749 Approved
0.6882 Remote Similarity NPD5124 Phase 1
0.6882 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6875 Remote Similarity NPD3300 Phase 2
0.6869 Remote Similarity NPD4362 Clinical (unspecified phase)
0.6869 Remote Similarity NPD4361 Phase 2
0.6867 Remote Similarity NPD2798 Approved
0.6866 Remote Similarity NPD2494 Approved
0.6866 Remote Similarity NPD2493 Approved
0.686 Remote Similarity NPD7033 Discontinued
0.6857 Remote Similarity NPD7003 Approved
0.6851 Remote Similarity NPD7615 Clinical (unspecified phase)
0.685 Remote Similarity NPD8285 Discontinued
0.6847 Remote Similarity NPD8319 Approved
0.6847 Remote Similarity NPD4583 Approved
0.6847 Remote Similarity NPD4582 Approved
0.6847 Remote Similarity NPD8320 Phase 1
0.6832 Remote Similarity NPD2491 Approved
0.6832 Remote Similarity NPD3057 Approved
0.6831 Remote Similarity NPD4288 Approved
0.6829 Remote Similarity NPD9269 Phase 2
0.6829 Remote Similarity NPD3972 Approved
0.6826 Remote Similarity NPD2861 Phase 2

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3314596
ZINC  

Physicochemical Properties

Molecular Weight:  616.34
ALogP:  3.7128
MLogP:  4.87
XLogP:  7.083
# Rotatable Bonds:  21
Polar Surface Area:  121.13
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  45

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs